SCHEMBL22200882

SCHEMBL22200882

CC(C)C1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR183 P32249 1/20 0.38
ACACB O00763 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
NR1H2 P55055 1/20 0.37
SCD5 Q86SK9 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22200841 0.88 HPGD (0.38) HPGDUSP2SMN1; SMN2HTTNPC1
SCHEMBL20756859 0.88 EPHX2 (0.40) HPGDUSP2SMN1; SMN2HTTNPC1
SCHEMBL25304410 0.84 GPR119 (0.39) HPGDHTTNPC1ALDH1A1MAPT
SCHEMBL25031307 0.83 HPGD (0.36) HPGDUSP2SMN1; SMN2GPR183ACACB
SCHEMBL14670918 0.83 CYP2C9 (0.48) HPGDUSP2ALDH1A1
SCHEMBL14662117 0.83 CHRM2 (0.46) HPGDUSP2SMN1; SMN2GPR183ACACB
SCHEMBL16573803 0.82 USP2 (0.48) HPGDUSP2SMN1; SMN2GPR183ACACB
SCHEMBL31584009 0.81 HPGD (0.41) HPGDUSP2SMN1; SMN2GPR183ACACB
SCHEMBL18655399 0.81 HPGD (0.41) HPGDUSP2SMN1; SMN2MAPTGPR183
SCHEMBL21645446 0.80 HSD17B10 (0.47) HPGDUSP2SMN1; SMN2ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-11827639-B2 TDO2 and IDO1 inhibitors GENENTECH, INC. (US) 2023-11-28 US disclosed
US-20200216456-A1 TDO2 and IDO1 Inhibitors GENENTECH, INC. 2020-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200216456-A1 TDO2 and IDO1 Inhibitors IDO1, IDO2, TDO2 HPGD 392/4885USP2 1035/4885SMN1; SMN2 4040/4885
US-11827639-B2 TDO2 and IDO1 inhibitors IDO1, TDO2, IDO2 HPGD 371/4885USP2 1075/4885SMN1; SMN2 3994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.